5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

C30H28N2O4 — CID 2432028

IUPAC5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1
InChIInChI=1S/C30H28N2O4/c1-21-12-13-27(33)25(18-21)28(34)24-19-26(29(35)31-16-14-22-8-4-2-5-9-22)30(36)32(20-24)17-15-23-10-6-3-7-11-23/h2-13,18-20,33H,14-17H2,1H3,(H,31,35)
InChIKeyICUAPMQJFOYCNW-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.31
Rot. Bonds9

About 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 2432028) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
PubChem CID2432028
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1
InChIInChI=1S/C30H28N2O4/c1-21-12-13-27(33)25(18-21)28(34)24-19-26(29(35)31-16-14-22-8-4-2-5-9-22)30(36)32(20-24)17-15-23-10-6-3-7-11-23/h2-13,18-20,33H,14-17H2,1H3,(H,31,35)
InChIKeyICUAPMQJFOYCNW-UHFFFAOYSA-N
XLogP4.31
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (CID 2432028) is 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is Cc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ICUAPMQJFOYCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-21-12-13-27(33)25(18-21)28(34)24-19-26(29(35)31-16-14-22-8-4-2-5-9-22)30(36)32(20-24)17-15-23-10-6-3-7-11-23/h2-13,18-20,33H,14-17H2,1H3,(H,31,35).
What are the key properties of 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2432028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).